Re: [AMBER] ptraj clustering output

From: Thomas Cheatham III <tec3.utah.edu>
Date: Wed, 11 May 2011 12:35:18 -0600 (Mountain Daylight Time)

> Is there any sense to time at all in the output? What I mean is looking at

Yes, that is a schematic as a function of time (x-axis)...

> the output given below, does it mean that clusters 2 and 3 are the main
> clusters AFTER a time when the structure is mostly close to cluster 1?

Initially the trajectory is in cluster zero and moves to cluster 1, then
primarily swaps between 2 and 3 (with brief visits back to 1)

> #Cluster 0 6 ..
> #Cluster 1 3X9992 .X95 . .
> #Cluster 2 ....2 .365799652.59789898727886888767887666886
> #Cluster 3 .7997 ..342..34794.21.1.1272113111232112333113

                  time ----------->


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Received on Wed May 11 2011 - 12:00:04 PDT
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